5-(2-amino-3-hydroxypropyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;hydrochloride

C10H17ClN2O3 — CID 170893063

IUPAC5-(2-amino-3-hydroxypropyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;hydrochloride
SMILESCc1[nH]c(CC(N)CO)c(C)c1C(=O)O.Cl
InChIInChI=1S/C10H16N2O3.ClH/c1-5-8(3-7(11)4-13)12-6(2)9(5)10(14)15;/h7,12-13H,3-4,11H2,1-2H3,(H,14,15);1H
InChIKeyVWFWKCWZYOILIZ-UHFFFAOYSA-N
MW248.71 g/mol
LogP0.61
Rot. Bonds4

About 5-(2-amino-3-hydroxypropyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;hydrochloride

5-(2-amino-3-hydroxypropyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;hydrochloride (PubChem CID 170893063) has the molecular formula C10H17ClN2O3 and a molecular weight of 248.71 g/mol. Its IUPAC name is 5-(2-amino-3-hydroxypropyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-(2-amino-3-hydroxypropyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;hydrochloride
PubChem CID170893063
Molecular FormulaC10H17ClN2O3
Molecular Weight248.71 g/mol
Exact Mass248.09
IUPAC Name5-(2-amino-3-hydroxypropyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;hydrochloride
SMILESCc1[nH]c(CC(N)CO)c(C)c1C(=O)O.Cl
InChIInChI=1S/C10H16N2O3.ClH/c1-5-8(3-7(11)4-13)12-6(2)9(5)10(14)15;/h7,12-13H,3-4,11H2,1-2H3,(H,14,15);1H
InChIKeyVWFWKCWZYOILIZ-UHFFFAOYSA-N
XLogP0.61
TPSA99.34 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 50.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-3-hydroxypropyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;hydrochloride?
The IUPAC name of 5-(2-amino-3-hydroxypropyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;hydrochloride (CID 170893063) is 5-(2-amino-3-hydroxypropyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-(2-amino-3-hydroxypropyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;hydrochloride?
The canonical SMILES for 5-(2-amino-3-hydroxypropyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;hydrochloride is Cc1[nH]c(CC(N)CO)c(C)c1C(=O)O.Cl.
What is the InChIKey of 5-(2-amino-3-hydroxypropyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;hydrochloride?
The InChIKey is VWFWKCWZYOILIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3.ClH/c1-5-8(3-7(11)4-13)12-6(2)9(5)10(14)15;/h7,12-13H,3-4,11H2,1-2H3,(H,14,15);1H.
What are the key properties of 5-(2-amino-3-hydroxypropyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;hydrochloride?
5-(2-amino-3-hydroxypropyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;hydrochloride has a molecular weight of 248.71 g/mol, XLogP of 0.61, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-3-hydroxypropyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 170893063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).